NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.7058 8.1693 120.5795 54.7721 43.2371 175.4503 3 I 4.5469 8.6406 115.5643 58.7991 41.4936 172.4319 4 S 5.2546 9.3328 120.2305 57.5588 64.5423 175.4111 5 V 4.7161 8.9035 116.8534 59.0045 36.2960 174.6940 6 L 3.9768 8.7707 125.0169 55.7605 41.9954 176.1338 7 K 4.4602 9.0405 127.1059 57.7896 34.7473 175.9751 8 S 5.0771 7.4993 113.6533 57.0925 67.8148 173.4251 9 K 4.8082 9.0296 124.2134 55.0703 35.8690 174.6140 10 I 4.8229 8.9064 128.8631 59.8856 39.2477 174.6198 11 S 4.5742 9.0039 124.0952 57.1243 65.3424 174.2209 12 Y 3.7395 8.6710 119.9924 59.0909 34.9412 169.7939 13 A 4.2689 8.0559 121.8801 52.3234 19.7635 177.6433 14 T 5.0273 8.3833 119.6796 61.5959 70.4814 174.8978 15 V 3.9233 8.8445 127.9457 63.6764 31.8694 176.3224 16 T 4.2902 9.0371 118.7069 62.7496 70.3213 174.6868 17 G 4.3507 7.8167 107.5650 45.5101 0.0000 172.2369 18 K 5.4901 8.2129 118.3465 56.2093 35.6045 175.5408 19 D 4.5529 8.5812 122.3880 52.2872 42.6083 174.8743 20 L 3.8333 8.4971 127.1269 56.9259 42.9528 177.3817 21 F 5.0078 7.4263 117.3493 56.3639 37.7302 175.2915 22 Y 4.4610 7.6868 121.8325 57.6376 39.8046 175.5075 23 V 4.1222 7.3671 129.4723 63.1505 32.7949 175.5339 *25 S 4.4002 7.6579 117.1041 58.1744 64.9256 173.6057 26 I 4.7182 7.5053 116.1808 61.3680 40.4400 175.8956 27 T 4.9625 8.8709 126.7515 62.3203 70.4183 173.8357 28 I 4.9188 8.3207 126.6626 59.0663 41.3643 174.1623 29 D 4.7684 8.8014 125.7315 54.7013 41.2480 178.1187 30 S 4.2552 8.6917 120.9408 61.0753 63.6064 175.6348 31 E 4.1342 8.9269 121.7508 59.3724 29.5008 178.9388 32 I 3.8095 7.7560 118.8691 61.5144 36.9860 178.0006 *34 K 4.1971 8.2365 123.1288 56.6275 33.6857 177.6178 35 Q 3.9345 7.9862 116.1566 58.7602 28.6790 177.3094 36 A 4.2685 8.1666 118.5915 51.5828 19.1298 176.7012 37 N 4.3597 7.5635 112.1713 54.2508 36.8395 174.2384 38 I 4.5822 7.0532 114.6633 59.5512 39.3801 175.9233 39 I 4.4511 8.5068 118.2719 58.4437 39.7742 174.7297 40 E 4.1017 8.4488 122.0153 57.9298 29.7842 176.8219 41 N 4.5601 9.3965 121.6933 53.4128 37.4413 174.1947 42 E 4.1814 7.9363 120.8354 55.8572 30.8865 175.9203 43 K 4.7541 8.6690 128.0125 56.7185 33.1537 176.2487 44 V 4.7700 9.0437 119.6889 59.6717 36.4681 174.0665 45 Q 4.8875 9.2395 124.9377 55.1102 30.9512 174.4558 46 V 4.8621 8.9665 126.3289 61.2257 34.2787 174.4979 47 V 4.9246 8.8663 120.9401 59.4587 35.6234 174.0823 48 N 5.1130 8.4840 123.0100 51.7733 40.3465 175.2292 49 L 3.8123 8.7402 127.6467 57.7957 41.8606 178.9607 50 N 4.4310 8.6340 116.4679 55.7479 38.5291 175.7788 51 N 4.6924 8.2430 111.2034 51.7693 38.5772 175.4855 52 G 3.8803 8.3115 107.1459 45.4758 0.0000 173.7575 53 E 4.1761 8.5129 120.3290 56.5115 30.7120 176.2391 54 R 5.2074 8.4096 121.4464 54.4074 33.6092 174.4962 55 L 4.7710 8.9436 122.6162 54.5914 44.6273 174.2665 56 E 5.2032 8.5193 118.3353 55.3631 32.6594 175.5695 57 T 4.6592 8.5883 116.7798 61.7457 71.3031 171.2003 58 Y 5.3709 8.1778 117.9543 55.3423 41.9796 174.3561 59 V 4.6612 8.3681 119.6914 61.6671 33.5907 174.4983 60 I 4.8704 8.5128 128.6848 59.2064 39.9119 175.1516 61 K 4.4128 9.1766 126.7083 56.5778 32.6546 177.3214 62 G 4.1042 9.0235 112.9274 44.5063 0.0000 172.6811 63 E 4.5810 8.5904 119.7445 55.2587 30.6409 175.3630 64 P 4.5701 0.0000 0.0000 64.3606 31.7357 175.9330 65 N 4.3843 9.2430 117.5935 54.0040 35.9307 175.3607 66 S 4.1834 8.0116 114.5026 59.0714 63.4430 175.2854 67 K 3.8909 8.6883 118.4100 57.0482 30.2101 175.5555 68 T 3.9609 7.7678 117.0462 64.2612 69.6195 173.4289 69 I 5.0160 8.9405 126.1169 59.6140 40.9059 174.0050 70 A 5.6775 8.9290 128.8799 48.8353 22.5942 174.3040 71 L 4.9239 8.4423 121.6712 53.1547 43.8221 175.4297 72 N 5.0697 8.9111 121.6291 52.4380 41.5669 177.0099 73 G 4.0754 8.7160 109.2831 45.0941 0.0000 172.6442 74 P 4.1380 0.0000 0.0000 65.4474 31.1974 178.0859 75 A 3.9652 8.0626 119.0028 54.9352 17.6087 179.0725 76 A 3.8841 8.0918 119.5170 55.4307 18.1392 179.5598 77 R 4.0934 7.9316 114.5916 57.8524 30.1869 177.5069 78 R 4.4891 7.5790 117.1156 55.6782 30.3850 174.9248 79 C 4.8335 7.4545 111.4362 57.2513 32.9915 172.5503 80 E 4.7590 9.0672 118.1356 53.9873 32.9823 175.6815 81 I 4.0136 8.1480 121.5155 63.2726 37.5152 176.7991 82 G 4.0226 8.9539 113.8659 45.1575 0.0000 173.7249 83 D 4.5386 7.9029 119.8859 54.6239 42.2981 175.3701 84 Q 4.9401 8.5799 120.5931 54.8149 30.7878 174.7034 85 L 5.1778 9.1375 123.8036 52.9772 45.4483 175.2956 86 F 5.5305 8.8368 120.2340 56.0131 41.9707 174.8763 87 I 4.9492 8.8567 123.1315 59.6642 40.4999 174.5009 88 I 5.0116 8.9895 128.2209 59.2829 40.7295 174.8006 89 S 4.9535 8.7515 120.2057 56.7265 66.1317 172.5786 90 Y 5.2570 8.6470 118.5505 56.6043 41.3299 174.6680 91 T 4.7568 8.9728 114.8508 60.5528 71.4112 172.4994 92 Q 4.9409 8.7072 126.2567 55.2817 29.8108 175.5678 93 V 4.5640 8.9009 116.9696 59.2178 36.7877 174.6936 94 D 4.6621 8.6151 122.9897 53.2738 41.0988 175.3535 95 P 4.4866 0.0000 0.0000 64.8898 31.6348 177.6427 96 T 3.9715 8.3358 109.7779 64.2463 68.9116 175.1689 97 R 4.2658 7.7052 123.1476 55.2941 31.0794 176.4833 98 E 4.1321 8.4365 115.0306 55.9353 30.1421 175.9828 99 N 4.5141 8.5027 119.0651 53.0304 39.2201 175.1642 100 I 3.7812 8.2119 123.6226 61.0112 37.7057 175.4636 101 K 4.2960 8.4803 127.3574 54.2153 32.2445 174.2418 102 P 4.6271 0.0000 0.0000 62.7944 32.4906 175.9482 103 K 4.3564 8.8716 122.1249 55.6707 33.3647 175.5875 104 L 5.0321 8.4909 125.2082 52.7714 44.2615 176.0252 105 V 4.2668 8.9029 124.0923 61.1067 34.1828 173.5542 106 D 5.2856 8.7556 128.2046 52.8275 42.1245 175.5652 107 L 4.4658 8.9814 126.1101 54.6534 42.5288 177.1730 108 K 4.0734 8.6040 126.4207 56.5896 32.0499 176.2676 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 L 8.17 4.71 0.00 1.55 1.67 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.64 4.55 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.45 0.91 0.00 0.00 4 S 9.33 5.25 0.00 3.67 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.90 4.72 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.97 0.00 0.00 6 L 8.77 3.98 0.00 1.62 1.56 0.61 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 7 K 9.04 4.46 0.00 1.83 1.84 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.37 7.81 8 S 7.50 5.08 0.00 3.68 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.03 4.81 0.00 1.61 1.44 0.00 1.42 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.05 1.23 7.81 10 I 8.91 4.82 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.61 0.91 0.00 0.00 11 S 9.00 4.57 0.00 3.59 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.67 3.74 0.00 3.24 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.06 4.27 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.38 5.03 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 15 V 8.84 3.92 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.91 0.00 0.00 16 T 9.04 4.29 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 17 G 7.82 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.21 5.49 0.00 1.73 1.70 0.00 1.10 0.00 0.00 2.27 0.00 0.00 2.65 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.26 7.81 19 D 8.58 4.55 0.00 2.83 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.50 3.83 0.00 1.54 1.13 0.74 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 21 F 7.43 5.01 0.00 3.15 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.69 4.46 0.00 3.03 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.37 4.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.90 0.00 0.00 *25 S 7.66 4.40 0.00 3.49 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.51 4.72 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.43 0.87 0.00 0.00 27 T 8.87 4.96 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 28 I 8.32 4.92 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.66 0.90 0.00 0.00 29 D 8.80 4.77 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.69 4.26 0.00 4.06 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.93 4.13 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 32 I 7.76 3.81 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 0.91 0.00 0.00 *34 K 8.24 4.20 0.00 1.93 2.02 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.47 7.81 35 Q 7.99 3.93 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 36 A 8.17 4.27 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.56 4.36 0.00 2.87 2.87 0.00 0.00 6.83 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.05 4.58 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.70 0.91 0.00 0.00 39 I 8.51 4.45 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.92 0.00 0.00 40 E 8.45 4.10 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 41 N 9.40 4.56 0.00 2.90 2.93 0.00 0.00 6.94 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.94 4.18 0.00 2.20 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 43 K 8.67 4.75 0.00 1.87 1.75 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.54 7.81 44 V 9.04 4.77 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.97 0.00 0.00 45 Q 9.24 4.89 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 46 V 8.97 4.86 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.90 0.00 0.00 47 V 8.87 4.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.00 0.00 0.00 48 N 8.48 5.11 0.00 2.69 2.70 0.00 0.00 7.10 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.74 3.81 0.00 1.46 1.59 -0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.63 4.43 0.00 2.84 2.84 0.00 0.00 6.84 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.24 4.69 0.00 2.75 2.86 0.00 0.00 6.05 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.31 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.51 4.18 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 54 R 8.41 5.21 0.00 1.63 1.79 0.00 3.18 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 55 L 8.94 4.77 0.00 1.70 1.69 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.52 5.20 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 57 T 8.59 4.66 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 58 Y 8.18 5.37 0.00 3.17 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.37 4.66 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.98 0.00 0.00 60 I 8.51 4.87 1.77 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.78 0.99 0.00 0.00 61 K 9.18 4.41 0.00 1.77 1.78 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.43 7.81 62 G 9.02 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.59 4.58 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.27 0.00 64 P 0.00 4.57 0.00 2.18 2.07 0.00 3.88 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 65 N 9.24 4.38 0.00 2.89 2.99 0.00 0.00 7.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.01 4.18 0.00 4.02 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.69 3.89 0.00 1.93 1.97 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.40 7.81 68 T 7.77 3.96 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 69 I 8.94 5.02 2.08 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 0.89 0.00 0.00 70 A 8.93 5.68 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.44 4.92 0.00 1.53 1.49 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.91 5.07 0.00 2.20 2.09 0.00 0.00 7.08 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.72 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.14 0.00 2.14 2.09 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 75 A 8.06 3.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.09 3.88 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.93 4.09 0.00 1.89 1.96 0.00 3.10 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 78 R 7.58 4.49 0.00 1.86 1.89 0.00 3.49 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 79 C 7.45 4.83 0.00 3.02 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 9.07 4.76 0.00 1.94 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.38 0.00 81 I 8.15 4.01 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.46 0.95 0.00 0.00 82 G 8.95 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 7.90 4.54 0.00 2.67 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 8.58 4.94 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 85 L 9.14 5.18 0.00 1.52 1.51 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 86 F 8.84 5.53 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.86 4.95 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.75 0.89 0.00 0.00 88 I 8.99 5.01 1.80 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.64 0.26 0.00 0.00 89 S 8.75 4.95 0.00 3.93 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.65 5.26 0.00 2.83 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.97 4.76 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 92 Q 8.71 4.94 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 93 V 8.90 4.56 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.95 0.00 0.00 94 D 8.62 4.66 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.49 0.00 2.22 2.17 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 96 T 8.34 3.97 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 97 R 7.71 4.27 0.00 1.97 1.92 0.00 3.18 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 98 E 8.44 4.13 0.00 1.98 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 99 N 8.50 4.51 0.00 2.69 2.79 0.00 0.00 7.01 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.21 3.78 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.97 0.00 0.00 101 K 8.48 4.30 0.00 1.70 1.72 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.40 7.81 102 P 0.00 4.63 0.00 2.04 1.98 0.00 3.53 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 103 K 8.87 4.36 0.00 1.66 1.75 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.54 7.81 104 L 8.49 5.03 0.00 1.45 1.49 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.90 4.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.93 0.00 0.00 106 D 8.76 5.29 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.98 4.47 0.00 1.92 1.73 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.60 4.07 0.00 1.33 1.58 0.00 1.41 0.00 0.00 0.61 0.00 0.00 2.40 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.23 1.12 7.81 * Residues marked with a * may have inaccurate shift predictions.